1-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C24H34N4O/c1-19(29)28-14-6-13-27(15-16-28)18-23-17-26(2)25-24(23)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h9-12,17,20H,3-8,13-16,18H2,1-2H3/p+1